3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C14H11F3N4O2 — CID 162578810

IUPAC3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C14H11F3N4O2/c1-7-11-12(21-20-7)13(22)19-10(18-11)6-8-4-2-3-5-9(8)23-14(15,16)17/h2-5H,6H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyRVHDBZOXNCTKAX-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.44
Rot. Bonds3

About 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 162578810) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID162578810
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C14H11F3N4O2/c1-7-11-12(21-20-7)13(22)19-10(18-11)6-8-4-2-3-5-9(8)23-14(15,16)17/h2-5H,6H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyRVHDBZOXNCTKAX-UHFFFAOYSA-N
XLogP2.44
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 142238501
3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721203
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-pyridin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135884616
3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721150
1-(2,6-dichlorophenyl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135884602
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135440149
4-(2,3-dimethylanilino)-5-methanimidoyl-2-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidin-6-one
CID 143811106
3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]benzoic acid
CID 135884608
5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623
5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135540509

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 162578810) is 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is Cc1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is RVHDBZOXNCTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-7-11-12(21-20-7)13(22)19-10(18-11)6-8-4-2-3-5-9(8)23-14(15,16)17/h2-5H,6H2,1H3,(H,20,21)(H,18,19,22).
What are the key properties of 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 324.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 162578810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).